4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide

C15H24N2O2 — CID 110460827

IUPAC4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
SMILESCC(C)(C)Oc1cccc(CNC(=O)CCCN)c1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-13-7-4-6-12(10-13)11-17-14(18)8-5-9-16/h4,6-7,10H,5,8-9,11,16H2,1-3H3,(H,17,18)
InChIKeyVUWUVCUBIDCPJA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.22
Rot. Bonds6

About 4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide

4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide (PubChem CID 110460827) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
PubChem CID110460827
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
SMILESCC(C)(C)Oc1cccc(CNC(=O)CCCN)c1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-13-7-4-6-12(10-13)11-17-14(18)8-5-9-16/h4,6-7,10H,5,8-9,11,16H2,1-3H3,(H,17,18)
InChIKeyVUWUVCUBIDCPJA-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354
4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
CID 119279529
6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide
CID 65290667
5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872587
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide
CID 49337433
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 68701338
N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide
CID 79191557
4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
CID 119339529
3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide
CID 110480490
3-[3-(3-aminopropyl)phenoxy]-3-methylbutan-2-one
CID 20605201
4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide
CID 110460835

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide (CID 110460827) is 4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide is CC(C)(C)Oc1cccc(CNC(=O)CCCN)c1.
What is the InChIKey of 4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide?
The InChIKey is VUWUVCUBIDCPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)19-13-7-4-6-12(10-13)11-17-14(18)8-5-9-16/h4,6-7,10H,5,8-9,11,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide?
4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide is sourced from PubChem (CID 110460827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).